How to design more efficient hole-transporting materials for perovskite solar cells? Rational tailoring of the triphenylamine-based electron donor

Designed with a symmetrical naphthatetrathiophene (NTT) core and triphenylamine (TPA)-based side arms, a series of novel organic small molecule hole-transporting materials are simulated for perovskite solar cells (PSCs) using density functional theory (DFT) and time-dependent DFT (TD-DFT) methods. A...

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